2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate

C19H15N2O4- — CID 8699845

IUPAC2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate
SMILESO=C(Cc1cccc2ccccc12)NCc1cc([N+](=O)[O-])ccc1[O-]
InChIInChI=1S/C19H16N2O4/c22-18-9-8-16(21(24)25)10-15(18)12-20-19(23)11-14-6-3-5-13-4-1-2-7-17(13)14/h1-10,22H,11-12H2,(H,20,23)/p-1
InChIKeyOVEYZOHHPSZXBO-UHFFFAOYSA-M
MW335.34 g/mol
LogP2.68
Rot. Bonds5

About 2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate

2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate (PubChem CID 8699845) has the molecular formula C19H15N2O4- and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate.

Molecular Properties

Compound Name2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate
PubChem CID8699845
Molecular FormulaC19H15N2O4-
Molecular Weight335.34 g/mol
Exact Mass335.10
IUPAC Name2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate
SMILESO=C(Cc1cccc2ccccc12)NCc1cc([N+](=O)[O-])ccc1[O-]
InChIInChI=1S/C19H16N2O4/c22-18-9-8-16(21(24)25)10-15(18)12-20-19(23)11-14-6-3-5-13-4-1-2-7-17(13)14/h1-10,22H,11-12H2,(H,20,23)/p-1
InChIKeyOVEYZOHHPSZXBO-UHFFFAOYSA-M
XLogP2.68
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide
CID 16850510
1-(naphthalen-1-ylmethyl)-3-(4-nitrophenyl)urea
CID 112840095
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide
CID 70067874
4-nitro-2-[(9H-xanthene-9-carbonylamino)methyl]phenolate
CID 8699879
N-[[2-(hydroxymethyl)phenyl]methyl]-3-nitrobenzamide
CID 110902363
(E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide
CID 17187055
N-(2-bromo-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 134058100
2-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]-4-nitrophenolate
CID 9090958
2-[[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]methyl]-4-nitrophenolate
CID 9090996
2-[[(2,3-dimethylphenyl)carbamothioylamino]methyl]-4-nitrophenolate
CID 8628603
2-[[(3-methoxy-4-methylbenzoyl)amino]methyl]-4-nitrophenolate
CID 9090952

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate?
The IUPAC name of 2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate (CID 8699845) is 2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate.
What is the SMILES notation for 2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate?
The canonical SMILES for 2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate is O=C(Cc1cccc2ccccc12)NCc1cc([N+](=O)[O-])ccc1[O-].
What is the InChIKey of 2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate?
The InChIKey is OVEYZOHHPSZXBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16N2O4/c22-18-9-8-16(21(24)25)10-15(18)12-20-19(23)11-14-6-3-5-13-4-1-2-7-17(13)14/h1-10,22H,11-12H2,(H,20,23)/p-1.
What are the key properties of 2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate?
2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate has a molecular weight of 335.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate is sourced from PubChem (CID 8699845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).